2-Furoyl chloride(527-69-5) Raman
Product Name2-Furoyl chloride
CAS527-69-5
Molecular FormulaC5H3ClO2
Molecular Weight130.53
InChIInChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey OFTKFKYVSBNYEC-UHFFFAOYSA-N
SmilesC(Cl)(C1=CC=CO1)=O
-
MassMS-NW-4738 2-furoyl chloride C5H3ClO2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.2 28.0 3.1 29.0 3.4 33.5 1.4 35.0 1.0 36.0 2.0 37.0 8.8 38.0 14.4 39.0 40.7 40.0 1.4 41.0 2.1 47.5 1.2 51.0 2.2 53.0 1.9 66.0 1.6 67.0 6.7 73.0 1.6 95.0 100.0 96.0 5.6 102.0 3.6 104.0 1.1 130.0 16.0 132.0 5.2
parameter neat
parameter in CDCl3
-
1H NMR 300 MHz C5 H3 Cl O2 neat 2-furoyl chloride 
Parameter ppm Hz
D(A) 7.88 D(B) 6.70 D(C) 7.52 J(A,B) 1.70 J(A,C) 0.79 J(B,C) 3.79 ABRAHAM,R.J. & BERNSTEIN,H.J. CAN.J.CHEM. 39, 905 (1961)
Hz ppm Int.2365.22 7.884 907 2364.47 7.882 1000 2363.55 7.878 999 2362.79 7.876 924 2258.28 7.528 867 2257.55 7.525 865 2254.49 7.515 900 2253.76 7.513 885 2012.72 6.709 787 2011.04 6.703 799 2008.93 6.696 782 2007.24 6.691 757
-
1H NMR 300 MHz C5 H3 Cl O2 0.04 ml : 0.5 ml CDCl3 2-furoyl chloride Parameter ppm Hz
D(A) 7.766 D(B) 7.503 D(C) 6.651 J(A,B) 0.87 J(A,C) 1.75 J(B,C) 3.69
Hz ppm Int.2331.09 7.770 890 2330.24 7.767 1000 2329.38 7.765 995 2328.53 7.762 913 2253.17 7.511 860 2252.34 7.508 854 2249.49 7.498 892 2248.67 7.496 871 1998.00 6.660 794 1996.27 6.654 809 1994.31 6.648 795 1992.58 6.642 765
in CDCl3
liquid film
